N-(4-acetamido-3-chloranyl-phenyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide

Systemtic Name: N-(4-acetamido-3-chloranyl-phenyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(4-acetamido-3-chloro-phenyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(4-acetamido-3-chlorophenyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(4-acetamido-3-chlorophenyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(4-acetamido-3-chloro-phenyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C20H20ClN5O2S MolecularWeight: 429.9231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NC3=CC(=C(C=C3)NC(=O)C)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NC3=CC(=C(C=C3)NC(=O)C)Cl

InChI

InChI=1S/C20H20ClN5O2S/c1-12-4-3-5-14(10-12)19-24-25-20(29)26(19)9-8-18(28)23-15-6-7-17(16(21)11-15)22-13(2)27/h3-7,10-11H,8-9H2,1-2H3,(H,22,27)(H,23,28)(H,25,29)